2-(aminomethyl)-1-(3-chloro-4-methylthiophen-2-yl)butan-1-ol

C10H16ClNOS — CID 103406633

IUPAC2-(aminomethyl)-1-(3-chloro-4-methylthiophen-2-yl)butan-1-ol
SMILESCCC(CN)C(O)c1scc(C)c1Cl
InChIInChI=1S/C10H16ClNOS/c1-3-7(4-12)9(13)10-8(11)6(2)5-14-10/h5,7,9,13H,3-4,12H2,1-2H3
InChIKeyICTCKHIXWOBCNB-UHFFFAOYSA-N
MW233.76 g/mol
LogP2.73
Rot. Bonds4

About 2-(aminomethyl)-1-(3-chloro-4-methylthiophen-2-yl)butan-1-ol

2-(aminomethyl)-1-(3-chloro-4-methylthiophen-2-yl)butan-1-ol (PubChem CID 103406633) has the molecular formula C10H16ClNOS and a molecular weight of 233.76 g/mol. Its IUPAC name is 2-(aminomethyl)-1-(3-chloro-4-methylthiophen-2-yl)butan-1-ol.

Molecular Properties

Compound Name2-(aminomethyl)-1-(3-chloro-4-methylthiophen-2-yl)butan-1-ol
PubChem CID103406633
Molecular FormulaC10H16ClNOS
Molecular Weight233.76 g/mol
Exact Mass233.06
IUPAC Name2-(aminomethyl)-1-(3-chloro-4-methylthiophen-2-yl)butan-1-ol
SMILESCCC(CN)C(O)c1scc(C)c1Cl
InChIInChI=1S/C10H16ClNOS/c1-3-7(4-12)9(13)10-8(11)6(2)5-14-10/h5,7,9,13H,3-4,12H2,1-2H3
InChIKeyICTCKHIXWOBCNB-UHFFFAOYSA-N
XLogP2.73
TPSA46.25 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.76
LogP ≤ 52.73
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

(1S)-2-amino-1-(3-chloro-4-methylthiophen-2-yl)ethanol
CID 69219309
1-(3-chloro-4-methylthiophen-2-yl)-2-ethyl-N-methylbutan-1-amine
CID 103406780
3-amino-1-(3-chloro-4-methylthiophen-2-yl)-2-(3-chlorophenyl)propan-1-ol
CID 103406591
1-(3-chloro-4-methylthiophen-2-yl)pentan-1-ol
CID 103407883
1-(3-chloro-4-methylthiophen-2-yl)-2-methylbutan-1-amine
CID 103406871
3-amino-2-(3-bromophenyl)-1-(3-chloro-4-methylthiophen-2-yl)propan-1-ol
CID 103406638
1-(3-chloro-4-methylthiophen-2-yl)hexan-1-ol
CID 103407894
1-(3-chloro-4-methylthiophen-2-yl)-3-methylbutan-1-ol
CID 103407802
1-(3-chloro-4-methylthiophen-2-yl)-4-methoxy-2-methylbutan-1-ol
CID 103408273
2-(aminomethyl)-1-(2-chloro-4-methylphenyl)butan-1-ol
CID 106864336
2-(aminomethyl)-1-(5-chloro-2-methylphenyl)butan-1-ol
CID 82891206
3-chloro-4-methyl-2-propan-2-ylthiophene
CID 58718163

Frequently Asked Questions

What is the IUPAC name of 2-(aminomethyl)-1-(3-chloro-4-methylthiophen-2-yl)butan-1-ol?
The IUPAC name of 2-(aminomethyl)-1-(3-chloro-4-methylthiophen-2-yl)butan-1-ol (CID 103406633) is 2-(aminomethyl)-1-(3-chloro-4-methylthiophen-2-yl)butan-1-ol.
What is the SMILES notation for 2-(aminomethyl)-1-(3-chloro-4-methylthiophen-2-yl)butan-1-ol?
The canonical SMILES for 2-(aminomethyl)-1-(3-chloro-4-methylthiophen-2-yl)butan-1-ol is CCC(CN)C(O)c1scc(C)c1Cl.
What is the InChIKey of 2-(aminomethyl)-1-(3-chloro-4-methylthiophen-2-yl)butan-1-ol?
The InChIKey is ICTCKHIXWOBCNB-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16ClNOS/c1-3-7(4-12)9(13)10-8(11)6(2)5-14-10/h5,7,9,13H,3-4,12H2,1-2H3.
What are the key properties of 2-(aminomethyl)-1-(3-chloro-4-methylthiophen-2-yl)butan-1-ol?
2-(aminomethyl)-1-(3-chloro-4-methylthiophen-2-yl)butan-1-ol has a molecular weight of 233.76 g/mol, XLogP of 2.73, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(aminomethyl)-1-(3-chloro-4-methylthiophen-2-yl)butan-1-ol is sourced from PubChem (CID 103406633), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).